%chk=000088568.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088568

0 1
 O  -0.5373000       1.228300     -0.3083000    
 N   -2.664900      0.3971000     -0.5544000    
 N  -0.7391000      -1.024300     -0.3106000    
 C   -3.685900     -0.6273000     -0.6666000    
 C   -4.019100      -1.191600      0.7182000    
 C   -4.929600     -5.7399999E-02  -1.355800    
 C   -4.787000     -0.1998000       1.592100    
 C   -5.694100      0.9305000     -0.4746000    
 C   -6.031500      0.3279000      0.8856000    
 C   -1.338600      0.1358000     -0.3934000    
 C   0.7051000      0.6915000     -0.1548000    
 C   0.5781000     -0.6753000     -0.1565000    
 C    1.781900       1.631500     -3.5399999E-02
 C    1.645200      -1.617100     -2.0000000E-02
 C    3.063500       1.298800     -0.4872000    
 C    1.559600       2.889300      0.5351000    
 C    2.027300      -2.068900       1.246800    
 C    2.313500      -2.092700      -1.152000    
 C    4.110500       2.213200     -0.3697000    
 C    2.606400       3.803700      0.6525000    
 C    3.068200      -2.987900       1.380200    
 C    3.354300      -3.011700      -1.018700    
 C    3.881900       3.465500      0.2001000    
 C    3.731600      -3.459200      0.2475000    
 H   -3.301400      -1.440300      -1.296300    
 H   -3.111000      -1.508600       1.244200    
 H   -4.634500      -2.091700      0.5910000    
 H   -5.600600     -0.8856000      -1.617700    
 H   -4.653000      0.4348000      -2.296100    
 H   -4.134400      0.6398000       1.860600    
 H   -5.076900     -0.6869000       2.530100    
 H   -6.619800       1.227600     -0.9810000    
 H   -5.107900       1.846200     -0.3348000    
 H   -6.750100     -0.4905000      0.7535000    
 H   -6.519800       1.082400       1.512500    
 H   -2.972900       1.365200     -0.5688000    
 H    3.284500      0.3542000     -0.9672000    
 H   0.5776000       3.177600      0.9033000    
 H    1.520700      -1.711800       2.140600    
 H    2.031300      -1.756200      -2.147100    
 H    5.102100       1.953300     -0.7289000    
 H    2.429100       4.778400       1.097500    
 H    3.362200      -3.336300       2.365900    
 H    3.870800      -3.379000      -1.900600    
 H    4.696500       4.178000      0.2902000    
 H    4.542100      -4.174700      0.3512000    


%chk=000088568-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088568

0 1
O -0.496724 1.410440 -0.155611
N -2.648288 0.548206 -0.622044
N -0.677657 -0.865490 -0.435269
C -3.623998 -0.544176 -0.855033
C -3.952940 -1.312083 0.455210
C -4.907200 0.045605 -1.488216
C -4.757738 -0.446755 1.451848
C -5.722996 0.906753 -0.490319
C -6.044912 0.115515 0.800600
C -1.324253 0.299017 -0.417887
C 0.828440 0.843271 -0.012247
C 0.684808 -0.539762 -0.160930
C 1.901109 1.821845 0.155351
C 1.657977 -1.640629 -0.025923
C 3.235242 1.547554 -0.265575
C 1.615364 3.103752 0.710707
C 2.803987 -1.549538 0.811639
C 1.411534 -2.861284 -0.713440
C 4.249255 2.513807 -0.109479
C 2.633221 4.067925 0.858109
C 3.693365 -2.637846 0.931252
C 2.304731 -3.946440 -0.595284
C 3.958330 3.778441 0.456170
C 3.454004 -3.839547 0.222867
H -3.149093 -1.249014 -1.564221
H -3.010629 -1.672261 0.906525
H -4.544680 -2.209962 0.182196
H -5.536742 -0.802650 -1.820842
H -4.647716 0.628491 -2.393294
H -4.125016 0.393515 1.804451
H -5.012315 -1.045507 2.347077
H -6.656556 1.248865 -0.976338
H -5.162984 1.828574 -0.222696
H -6.723413 -0.726095 0.548590
H -6.588514 0.760790 1.517348
H -2.966929 1.514347 -0.565822
H 3.470085 0.586937 -0.734216
H 0.591442 3.332328 1.022440
H 2.986110 -0.636530 1.387960
H 0.509485 -2.939879 -1.328024
H 5.267367 2.284152 -0.443600
H 2.392919 5.046176 1.289747
H 4.567707 -2.552276 1.586459
H 2.103053 -4.877230 -1.137603
H 4.749163 4.527505 0.573167
H 4.147194 -4.683056 0.316402


